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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 586 | 302-17-0 |
| Dose | Unit | Route |
|---|---|---|
| 1 | g | O |
| 1 | g | R |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 8300 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 86.37 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 51 | |||
| kinase-selectivity-class | AXL,BRAF,GRK2,MAP2K6,PDK1,PDK2,PIK3CD,PIK3CG | 8 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1840 | YEAR INTRODUCED |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Schizophrenia | 875.92 | 179.11 | 184 | 3441 | 14730 | 90610092 |
| Hypomania | 796.70 | 179.11 | 156 | 3469 | 8741 | 90616081 |
| Jaundice cholestatic | 747.90 | 179.11 | 151 | 3474 | 9892 | 90614930 |
| Cholelithiasis | 645.76 | 179.11 | 184 | 3441 | 52322 | 90572500 |
| Psychotic disorder | 572.57 | 179.11 | 150 | 3475 | 31080 | 90593742 |
| Blood bilirubin increased | 532.45 | 179.11 | 152 | 3473 | 43318 | 90581504 |
| Hepatotoxicity | 524.46 | 179.11 | 152 | 3473 | 45690 | 90579132 |
| Asthma-chronic obstructive pulmonary disease overlap syndrome | 432.36 | 179.11 | 85 | 3540 | 4814 | 90620008 |
| Total lung capacity increased | 430.28 | 179.11 | 85 | 3540 | 4936 | 90619886 |
| Sarcoidosis | 366.40 | 179.11 | 85 | 3540 | 10588 | 90614234 |
| Nasal polyps | 364.77 | 179.11 | 85 | 3540 | 10795 | 90614027 |
| Rhinitis allergic | 328.15 | 179.11 | 85 | 3540 | 16700 | 90608122 |
| Cardiac murmur | 326.15 | 179.11 | 86 | 3539 | 18108 | 90606714 |
| Bronchiectasis | 304.11 | 179.11 | 85 | 3540 | 22245 | 90602577 |
| Lung neoplasm malignant | 244.05 | 179.11 | 73 | 3552 | 24200 | 90600622 |
| Hepatic enzyme increased | 225.39 | 179.11 | 153 | 3472 | 360583 | 90264239 |
| Pneumonia | 208.54 | 179.11 | 184 | 3441 | 637875 | 89986947 |
| Chronic obstructive pulmonary disease | 204.47 | 179.11 | 85 | 3540 | 73744 | 90551078 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Respiratory failure | 82.41 | 50.04 | 39 | 584 | 128093 | 42492619 |
| Sedation complication | 73.16 | 50.04 | 15 | 608 | 2904 | 42617808 |
| Hypoventilation | 63.62 | 50.04 | 14 | 609 | 3788 | 42616924 |
| Necrotising enterocolitis neonatal | 51.34 | 50.04 | 8 | 615 | 323 | 42620389 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Schizophrenia | 831.53 | 86.13 | 188 | 4129 | 21638 | 110563344 |
| Hypomania | 784.53 | 86.13 | 157 | 4160 | 10053 | 110574929 |
| Jaundice cholestatic | 705.89 | 86.13 | 153 | 4164 | 14455 | 110570527 |
| Cholelithiasis | 632.54 | 86.13 | 188 | 4129 | 63234 | 110521748 |
| Psychotic disorder | 520.54 | 86.13 | 154 | 4163 | 50783 | 110534199 |
| Hepatotoxicity | 487.30 | 86.13 | 154 | 4163 | 63246 | 110521736 |
| Blood bilirubin increased | 455.94 | 86.13 | 153 | 4164 | 75819 | 110509163 |
| Total lung capacity increased | 442.83 | 86.13 | 87 | 4230 | 5025 | 110579957 |
| Asthma-chronic obstructive pulmonary disease overlap syndrome | 424.09 | 86.13 | 87 | 4230 | 6257 | 110578725 |
| Sarcoidosis | 364.78 | 86.13 | 87 | 4230 | 12492 | 110572490 |
| Nasal polyps | 360.61 | 86.13 | 87 | 4230 | 13113 | 110571869 |
| Rhinitis allergic | 339.03 | 86.13 | 88 | 4229 | 17834 | 110567148 |
| Cardiac murmur | 306.79 | 86.13 | 87 | 4230 | 24541 | 110560441 |
| Bronchiectasis | 273.03 | 86.13 | 87 | 4230 | 36406 | 110548576 |
| Hepatic enzyme increased | 252.38 | 86.13 | 156 | 4161 | 320736 | 110264246 |
| Lung neoplasm malignant | 225.83 | 86.13 | 74 | 4243 | 33768 | 110551214 |
| Chronic obstructive pulmonary disease | 180.48 | 86.13 | 87 | 4230 | 109071 | 110475911 |
| Vomiting | 178.95 | 86.13 | 197 | 4120 | 910478 | 109674504 |
| Pneumonia | 178.05 | 86.13 | 193 | 4124 | 876521 | 109708461 |
| Gastrooesophageal reflux disease | 147.35 | 86.13 | 90 | 4227 | 179886 | 110405096 |
| Condition aggravated | 145.72 | 86.13 | 160 | 4157 | 734676 | 109850306 |
| Nausea | 122.50 | 86.13 | 191 | 4126 | 1235499 | 109349483 |
| Wheezing | 116.58 | 86.13 | 89 | 4228 | 255141 | 110329841 |
| Oedema peripheral | 108.82 | 86.13 | 95 | 4222 | 328565 | 110256417 |
None
| Source | Code | Description |
|---|---|---|
| ATC | N05CC01 | NERVOUS SYSTEM PSYCHOLEPTICS HYPNOTICS AND SEDATIVES Aldehydes and derivatives |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35474 | anxiolytic drug |
| CHEBI has role | CHEBI:35476 | antipsychotic agent |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:35717 | sedative |
| CHEBI has role | CHEBI:38869 | general anaesthetic |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| General anesthesia | indication | 50697003 | |
| Insomnia | indication | 193462001 | |
| Sedation | off-label use | 72641008 | |
| Proctitis | contraindication | 3951002 | DOID:3127 |
| Gastritis | contraindication | 4556007 | DOID:4029 |
| Peptic ulcer | contraindication | 13200003 | DOID:750 |
| Esophagitis | contraindication | 16761005 | DOID:11963 |
| Inflammatory bowel disease | contraindication | 24526004 | DOID:0050589 |
| Acute nephropathy | contraindication | 58574008 | |
| Hepatic failure | contraindication | 59927004 | |
| Substance abuse | contraindication | 66214007 | |
| Acute disease of cardiovascular system | contraindication | 128487001 | |
| Acute intermittent porphyria | contraindication | 234422006 | DOID:3890 |
| Species | Use | Relation |
|---|---|---|
| Cattle | General anesthesia | Indication |
| Cattle | Sedation | Indication |
| Horses | General anesthesia | Indication |
| Horses | Sedation | Indication |
| Product | Applicant | Ingredients |
|---|---|---|
| Chloropent | Zoetis Inc. | 3 |
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.9 | acidic |
| pKa2 | 13.19 | acidic |
None
None
None
| ID | Source |
|---|---|
| 4017726 | VUID |
| N0000146094 | NUI |
| D00265 | KEGG_DRUG |
| 2344 | RXNORM |
| C0008161 | UMLSCUI |
| CHEBI:28142 | CHEBI |
| CHEMBL455917 | ChEMBL_ID |
| DB01563 | DRUGBANK_ID |
| D002697 | MESH_DESCRIPTOR_UI |
| 2707 | PUBCHEM_CID |
| 418M5916WG | UNII |
| 3870 | MMSL |
| 4404 | MMSL |
| d00147 | MMSL |
| 001427 | NDDF |
| 273948005 | SNOMEDCT_US |
| 28748001 | SNOMEDCT_US |
| 4017726 | VANDF |
None